%chk=000005983.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005983

0 1
 O    3.134500      0.3073000      0.8004000    
 O    3.268800     -0.4833000      -1.382100    
 N   -3.250000     -0.7827000      -1.007000    
 N   -2.217300       1.384000     -2.4400000E-02
 N    5.119400     -0.5333000      1.6100001E-02
 C   -1.722400     -0.8243000      0.8390000    
 C   -2.831600      5.6200001E-02  0.1433000    
 C   -1.727000      -2.153200      7.7500001E-02
 C  -0.4849000      3.0000000E-03  0.6162000    
 C   -3.087600      -2.175400     -0.5933000    
 C  -0.8472000       1.262000      0.1219000    
 C   -2.001500      -1.015100       2.333300    
 C   -4.606300     -0.5012000      -1.454800    
 C   0.8391000     -0.3389000      0.8518000    
 C   -2.884100       2.492600     -0.6563000    
 C   0.1362000       2.204800     -0.1411000    
 C    1.824500      0.6090000      0.5813000    
 C    1.475300       1.873100      8.8200003E-02
 C    3.803800     -0.2630000     -0.2994000    
 C    6.058200      -1.121700     -0.9106000    
 H   -3.681900      0.1605000      0.8328000    
 H   -1.586300      -3.021500      0.7299000    
 H  -0.9389000      -2.185800     -0.6863000    
 H   -3.101100      -2.861900      -1.445600    
 H   -3.861500      -2.482800      0.1214000    
 H   -1.206500      -1.597300       2.813200    
 H   -2.064900     -5.3700000E-02   2.856300    
 H   -2.946800      -1.545000       2.494400    
 H   -4.870300      -1.147700      -2.299100    
 H   -4.691900      0.5293000      -1.812500    
 H   -5.347800     -0.6551000     -0.6627000    
 H    1.099900      -1.318500       1.239100    
 H   -2.538500       3.448000     -0.2480000    
 H   -3.964100       2.442800     -0.4842000    
 H   -2.707600       2.487000      -1.736700    
 H  -0.1121000       3.190500     -0.5216000    
 H    2.248800       2.608900     -0.1182000    
 H    5.445700     -0.3054000      0.9502000    
 H    6.428100      -2.053300     -0.4757000    
 H    6.891700     -0.4268000      -1.038700    
 H    5.591300      -1.323300      -1.877500    


%chk=000005983-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005983

0 1
O 3.305330 0.708127 0.258382
O 3.434367 -1.572558 -0.433365
N -3.712143 -0.581856 -0.706471
N -2.253728 1.390798 -0.198854
N 5.312565 -0.320674 0.227473
C -1.592855 -0.829606 0.518024
C -2.838388 0.110207 0.272902
C -1.728486 -1.889146 -0.633943
C -0.397283 0.091367 0.296170
C -3.244424 -1.981584 -0.879621
C -0.857852 1.350881 -0.193397
C -1.626604 -1.495855 1.910713
C -5.163207 -0.431297 -0.519778
C 0.967896 -0.177236 0.443286
C -3.083257 2.479366 -0.687037
C 0.070261 2.352156 -0.570085
C 1.889188 0.836238 0.072782
C 1.452249 2.078152 -0.428362
C 3.972932 -0.513775 -0.028351
C 6.300195 -1.385486 0.046541
H -3.411279 0.310902 1.211478
H -1.278809 -2.857700 -0.355420
H -1.220369 -1.517947 -1.540400
H -3.488432 -2.351908 -1.892800
H -3.725486 -2.673665 -0.143346
H -0.737784 -2.135838 2.059083
H -1.634874 -0.736483 2.713153
H -2.524867 -2.131054 2.026972
H -5.694353 -0.879019 -1.379213
H -5.440103 0.636365 -0.478855
H -5.543553 -0.923876 0.410501
H 1.325238 -1.145333 0.802263
H -2.508063 3.421251 -0.701338
H -3.952164 2.629781 -0.015238
H -3.469397 2.289206 -1.709740
H -0.253220 3.319267 -0.967571
H 2.199926 2.828549 -0.704235
H 5.596690 0.606186 0.544660
H 6.816633 -1.622194 0.995591
H 7.055510 -1.110338 -0.713066
H 5.767201 -2.285571 -0.298991


